Compound Detail
CHEMBL457605
TAZETTINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL457605 |
| Name | TAZETTINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLWAQARRNQVEHD-PBZHRCKQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
1.16
ALogP
6
HBA
1
HBD
60.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 | IC50 | = | 15800.0 | nM | 4.8 | Inhibition of human AKR1C3 expressed in Escherichia coli preincubated for 15 min... | 32463235 |
| NON-PROTEIN TARGET | IC50 | = | 78000.0 | nM | 4.11 | Cytotoxicity against human OE21 cells after 72 hrs by MTT colorimetric assay | 20550100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20550100 | 10.1021/np9008255 | NON-PROTEIN TARGET | 3 |
| 8229020 | 10.1021/np50098a030 | NON-PROTEIN TARGET | 2 |
| 39229678 | 10.1021/acs.jnatprod.4c00825 | MRC5 | 1 |
| 8229020 | 10.1021/np50098a030 | A-431 | 1 |
| 23190013 | 10.1021/np3005425 | K562 | 1 |
| 23190013 | 10.1021/np3005425 | A549 | 1 |
| 23190013 | 10.1021/np3005425 | HepG2 | 1 |
| 23190013 | 10.1021/np3005425 | HT-29 | 1 |
| 20655219 | 10.1016/j.bmcl.2010.06.130 | Acetylcholinesterase | 1 |
| 19299148 | 10.1016/j.bmc.2009.02.050 | Plasmodium falciparum | 1 |
| 20550100 | 10.1021/np9008255 | B16-F10 | 1 |
| 20550100 | 10.1021/np9008255 | SK-MEL | 1 |
| 20550100 | 10.1021/np9008255 | A549 | 1 |
| 8229020 | 10.1021/np50098a030 | P388 | 1 |
| 8229020 | 10.1021/np50098a030 | ZR-75-1 | 1 |
| 8229020 | 10.1021/np50098a030 | SK-MEL-2 | 1 |
| 8229020 | 10.1021/np50098a030 | Lu1 | 1 |
| 8229020 | 10.1021/np50098a030 | LNCaP | 1 |
| 8229020 | 10.1021/np50098a030 | KB | 1 |
| 8229020 | 10.1021/np50098a030 | HT | 1 |
Data from ChEMBL 36 via Core Engine